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One Policy Is Enough: Single-Agent Reinforcement Learning Outperforms Tree Search for Chemistry Tool Learning

arXiv · AI, language, vision and robotics · article · Aug 31, 2026 · UTC

Chemistry questions often demand exact computation and database lookups that a language model cannot supply from its parameters, so it must reach for external tools. Tool use here is a three-part problem: select the right tool from a large pool, fill it with correctly typed arguments, and chain calls so that each consumes the outputs of the last. CheMatAgent, a previously published system, addresses this with hierarchical evolutionary MCTS: separate policy and execution models searching tool-call trees under two learned critics, one regressed partly onto GPT-assigned scores. We show that a sin

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